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5.alpha.-chloestan-2,3-dione 3-oxime
SpectraBase Compound ID 5M5IRcMxUpa
InChI InChI=1S/C27H45NO2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28-30)25(29)16-27(19,5)23(20)13-14-26(21,22)4/h17-23,30H,6-16H2,1-5H3/b28-24-/t18?,19-,20?,21?,22?,23?,26?,27?/m0/s1
InChIKey OJDLQLZXAPCFEA-PRTPNPIDSA-N
Mol Weight 415.7 g/mol
Molecular Formula C27H45NO2
Exact Mass 415.34503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nWI1a0vcrF
Name 5.alpha.-chloestan-2,3-dione 3-oxime
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H45NO2
InChI InChI=1S/C27H45NO2/c1-17(2)7-6-8-18(3)21-11-12-22-20-10-9-19-15-24(28-30)25(29)16-27(19,5)23(20)13-14-26(21,22)4/h17-23,30H,6-16H2,1-5H3/b28-24-/t18?,19-,20?,21?,22?,23?,26?,27?/m0/s1
InChIKey OJDLQLZXAPCFEA-PRTPNPIDSA-N
Molecular Weight 415.662 g/mol
SMILES O\N=C\1C[C@]2(C(C3C(C4CCC(C4(CC3)C)C(CCCC(C)C)C)CC2)(CC1=O)C)[H]
SPLASH splash10-02tc-5050900000-8e5a2afd92828ed5a306
Source of Spectrum AJ-61-4012-6
Synonyms (5alpha)-cholestane-2,3-dione 3-oxime
Wiley ID 1376098